tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidin-3-yl)carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidin-3-yl)carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(1-benzyloxycarbonylpyrrolidine-3-carbonyl)piperazine-1-carboxylate CAS Name: 4-[oxo-(1-phenylmethoxycarbonyl-3-pyrrolidinyl)methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-phenylmethoxycarbonylpyrrolidine-3-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(1-carbobenzoxypyrrolidine-3-carbonyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C2CCN(C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)30-21(28)24-13-11-23(12-14-24)19(26)18-9-10-25(15-18)20(27)29-16-17-7-5-4-6-8-17/h4-8,18H,9-16H2,1-3H3